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Changes in vibrational entropy during the early stages of chemical unmixing in fcc Cu–6% Fe

Smith, Hillary L. and Hornbuckle, B. C. and Mauger, L. and Fu, B. and Tracy, S. J. and Thompson, G. B. and Lucas, M. S. and Xiao, Y. and Hu, M. Y. and Zhao, J. and Alp, E. Ercan and Fultz, B. (2013) Changes in vibrational entropy during the early stages of chemical unmixing in fcc Cu–6% Fe. Acta Materialia, 61 (19). pp. 7466-7472. ISSN 1359-6454.

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A nanocrystalline face-centered cubic (fcc) solid solution of 6% Fe in Cu was prepared by high-energy ball milling, and annealed at temperatures from 200 to 360 °C to induce chemical unmixing. The chemical state of the material was characterized by three-dimensional atom probe microscopy, Mössbauer spectrometry and X-ray powder diffractometry. The unmixing was heterogeneous, with iron atoms forming iron-rich zones that thicken with further annealing. The phonon partial density of states (pDOS) of ^(57)Fe was measured by nuclear resonant inelastic X-ray scattering, showing the pDOS of the as-prepared material to be that of an fcc crystal. The features of this pDOS became broader in the early stages of unmixing, but only small changes in average phonon frequencies occurred until the body-centered cubic (bcc) phase began to form. The vibrational entropy calculated from the pDOS underwent little change during the early stage of annealing, but decreased rapidly when the bcc phase formed in the material.

Item Type:Article
Related URLs:
URLURL TypeDescription
Hu, M. Y.0000-0002-3718-7169
Zhao, J.0000-0002-0777-3626
Alp, E. Ercan0000-0002-4803-8863
Fultz, B.0000-0002-6364-8782
Additional Information:© 2013 Acta Materialia Inc. Published by Elsevier Ltd. Portions of this work were performed at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. HPCAT is supported by CIW, CDAC, UNLV and LLNL through funding from DOE-NNSA, DOE-BES and NSF. Use of the APS was supported by DOE-BES, under Contract No. DE-AC02-06CH11357. This work benefited from DANSE software developed under NSF Grant No. DMR-0520547. This work was supported by DOE-BES under contract DE-FG02-03ER46055.
Funding AgencyGrant Number
Carnegie Institution of WashingtonUNSPECIFIED
University of Nevada, Las VegasUNSPECIFIED
Lawrence Livermore National LaboratoryUNSPECIFIED
Department of Energy (DOE) National Nuclear Security AdministrationUNSPECIFIED
Department of Energy (DOE)DE-AC02-06CH11357
Department of Energy (DOE)DE-FG02-03ER46055
Subject Keywords:Nanocrystalline material; Microstructure formation; Vibrational entropy; Atom probe tomography; Fe–Cu alloy
Issue or Number:19
Record Number:CaltechAUTHORS:20140103-082148707
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Official Citation:Hillary L. Smith, B.C. Hornbuckle, L. Mauger, B. Fu, S.J. Tracy, G.B. Thompson, M.S. Lucas, Y. Xiao, M.Y. Hu, J. Zhao, E. Ercan Alp, B. Fultz, Changes in vibrational entropy during the early stages of chemical unmixing in fcc Cu–6% Fe, Acta Materialia, Volume 61, Issue 19, November 2013, Pages 7466-7472, ISSN 1359-6454, (
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:43194
Deposited By: Ruth Sustaita
Deposited On:03 Jan 2014 16:44
Last Modified:02 Mar 2020 23:49

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